3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanenitrile

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanenitrile Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanenitrile CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanenitrile IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)butanenitrile Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyronitrile Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)CC#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)CC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O2/c1-6(4-5-10)12-8(3)9(13(14)15)7(2)11-12/h6H,4H2,1-3H3